N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-4-morpholino-3-nitro-benzamide CAS Name: N-[4-(methylthio)-1,3-benzothiazol-2-yl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[4-(methylthio)-1,3-benzothiazol-2-yl]-4-morpholino-3-nitro-benzamide Formula: C19H18N4O4S2 MolecularWeight: 430.50062

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC2=C1N=C(S2)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=CC2=C1N=C(S2)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O4S2/c1-28-15-3-2-4-16-17(15)20-19(29-16)21-18(24)12-5-6-13(14(11-12)23(25)26)22-7-9-27-10-8-22/h2-6,11H,7-10H2,1H3,(H,20,21,24)